1-[3-(4-methylpiperazin-1-yl)propyl]chromeno[3,4-d]imidazol-4-one

C18H22N4O2 — CID 740271

IUPAC1-[3-(4-methylpiperazin-1-yl)propyl]chromeno[3,4-d]imidazol-4-one
SMILESCN1CCN(CCCn2cnc3c(=O)oc4ccccc4c32)CC1
InChIInChI=1S/C18H22N4O2/c1-20-9-11-21(12-10-20)7-4-8-22-13-19-16-17(22)14-5-2-3-6-15(14)24-18(16)23/h2-3,5-6,13H,4,7-12H2,1H3
InChIKeyIYYQEBCQDWZNSF-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.78
Rot. Bonds4

About 1-[3-(4-methylpiperazin-1-yl)propyl]chromeno[3,4-d]imidazol-4-one

1-[3-(4-methylpiperazin-1-yl)propyl]chromeno[3,4-d]imidazol-4-one (PubChem CID 740271) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-[3-(4-methylpiperazin-1-yl)propyl]chromeno[3,4-d]imidazol-4-one.

Molecular Properties

Compound Name1-[3-(4-methylpiperazin-1-yl)propyl]chromeno[3,4-d]imidazol-4-one
PubChem CID740271
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name1-[3-(4-methylpiperazin-1-yl)propyl]chromeno[3,4-d]imidazol-4-one
SMILESCN1CCN(CCCn2cnc3c(=O)oc4ccccc4c32)CC1
InChIInChI=1S/C18H22N4O2/c1-20-9-11-21(12-10-20)7-4-8-22-13-19-16-17(22)14-5-2-3-6-15(14)24-18(16)23/h2-3,5-6,13H,4,7-12H2,1H3
InChIKeyIYYQEBCQDWZNSF-UHFFFAOYSA-N
XLogP1.78
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 1-[3-(4-methylpiperazin-1-yl)propyl]chromeno[3,4-d]imidazol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1)Benzopyrano(3,4-d)imidazol-4(1H)-one, 1-propyl-
CID 55656
(1)Benzopyrano(3,4-d)imidazol-4(1H)-one, 1-phenyl-
CID 55662
(1)Benzopyrano(3,4-d)imidazol-4(1H)-one, 1-cyclohexyl-
CID 55660
(1)Benzopyrano(3,4-d)imidazol-4(1H)-one, 1-cyclopentyl-
CID 55659
(1)Benzopyrano(3,4-d)imidazol-4(1H)-one, 1-methyl-
CID 55654
(1)Benzopyrano(3,4-d)imidazol-4(1H)-one, 1-ethyl-
CID 55655
(1)Benzopyrano(3,4-d)imidazol-4(1H)-one, 1-(1-methylethyl)-
CID 55657
(1)Benzopyrano(3,4-d)imidazol-4(1H)-one, 1-butyl-
CID 55658
(1)Benzopyrano(3,4-d)imidazol-4(1H)-one, 1-(phenylmethyl)-
CID 55661
1-Ethyl-2-methyl-1H-chromeno[3,4-d]imidazol-4-one
CID 648915
2-methyl-1-phenylchromeno[3,4-d]imidazol-4(1H)-one
CID 773647
1-sec-butylchromeno[3,4-d]imidazol-4(1H)-one
CID 2842825

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylpiperazin-1-yl)propyl]chromeno[3,4-d]imidazol-4-one?
The IUPAC name of 1-[3-(4-methylpiperazin-1-yl)propyl]chromeno[3,4-d]imidazol-4-one (CID 740271) is 1-[3-(4-methylpiperazin-1-yl)propyl]chromeno[3,4-d]imidazol-4-one.
What is the SMILES notation for 1-[3-(4-methylpiperazin-1-yl)propyl]chromeno[3,4-d]imidazol-4-one?
The canonical SMILES for 1-[3-(4-methylpiperazin-1-yl)propyl]chromeno[3,4-d]imidazol-4-one is CN1CCN(CCCn2cnc3c(=O)oc4ccccc4c32)CC1.
What is the InChIKey of 1-[3-(4-methylpiperazin-1-yl)propyl]chromeno[3,4-d]imidazol-4-one?
The InChIKey is IYYQEBCQDWZNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-20-9-11-21(12-10-20)7-4-8-22-13-19-16-17(22)14-5-2-3-6-15(14)24-18(16)23/h2-3,5-6,13H,4,7-12H2,1H3.
What are the key properties of 1-[3-(4-methylpiperazin-1-yl)propyl]chromeno[3,4-d]imidazol-4-one?
1-[3-(4-methylpiperazin-1-yl)propyl]chromeno[3,4-d]imidazol-4-one has a molecular weight of 326.40 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylpiperazin-1-yl)propyl]chromeno[3,4-d]imidazol-4-one is sourced from PubChem (CID 740271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).